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Structure paper

TitleType II Kinase Inhibitors Targeting Cys-Gatekeeper Kinases Display Orthogonality with Wild Type and Ala/Gly-Gatekeeper Kinases.
Journal, issue, pagesACS Chem. Biol., Vol. 13, Page 2956-2965, Year 2018
Publish dateSep 4, 2018 (structure data deposition date)
AuthorsOcasio, C.A. / Warkentin, A.A. / McIntyre, P.J. / Barkovich, K.J. / Vesely, C. / Spencer, J. / Shokat, K.M. / Bayliss, R.
External linksACS Chem. Biol. / PubMed:30239186
MethodsX-ray diffraction
Resolution2.13 - 2.4 Å
Structure data

PDB-6hjj:
Crystal structure of Aurora-A L210C catalytic domain in complex with ASDO6 ligand
Method: X-RAY DIFFRACTION / Resolution: 2.13 Å

PDB-6hjk:
Crystal Structure of Aurora-A L210C catalytic domain in complex with ASDO2
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-G7T:
~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-butanamide

ChemComp-CL:
Unknown entry

ChemComp-ACT:
ACETATE ION

ChemComp-PGF:
2,5,8,11-TETRAOXATRIDECANE

ChemComp-HOH:
WATER

ChemComp-G7W:
(~{E})-~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide

ChemComp-SO4:
SULFATE ION

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Protein kinase / mitosis

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